[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] 5-Dimethylaminonaphthalene-1-Sulfonate
[CAS# 77446-71-0]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] 5-Dimethylaminonaphthalene-1-Sulfonate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] 5-Dimethylaminonaphthalene-1-Sulfonate; 5-Dimethylamino-1-Naphthalenesulfonic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Ester; 5-Dimethylaminonaphthalene-1-Sulfonic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₂H₂₄N₆O₆S
• Molecular Weight: 500.53
• CAS Registry Number: 77446-71-0
• SMILES: [C@@H]1(CO)[C@H]([C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=CN=C3N)O[S](C4=C5C(=CC=C4)C(=CC=C5)N(C)C)(=O)=O
• InChI: 1S/C22H24N6O6S/c1-27(2)14-7-3-6-13-12(14)5-4-8-16(13)35(31,32)34-19-15(9-29)33-22(18(19)30)28-11-26-17-20(23)24-10-25-21(17)28/h3-8,10-11,15,18-19,22,29-30H,9H2,1-2H3,(H2,23,24,25)/t15-,18-,19-,22-/m1/s1
• InChIKey: PFVOMAIBZGSHNC-CIVUBGFFSA-N

Properties

• Density: 1.656g/cm³ (Cal.)
• Boiling point: 821.348°C at 760 mmHg (Cal.)
• Flash point: 450.535°C (Cal.)